2-[[2-[hexadecyl(methylsulfanylcarbamoyl)amino]-1-oxidanyl-ethoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[2-[hexadecyl(methylsulfanylcarbamoyl)amino]-1-oxidanyl-ethoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[2-[hexadecyl(methylsulfanylcarbamoyl)amino]-1-hydroxy-ethoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[2-[hexadecyl-[[(methylthio)amino]-oxomethyl]amino]-1-hydroxyethoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[2-[hexadecyl(methylsulfanylcarbamoyl)amino]-1-hydroxyethoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[2-[cetyl-[(methylthio)carbamoyl]amino]-1-hydroxy-ethoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C25H55N3O6PS+ MolecularWeight: 556.759461

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN(CC(O)OP(=O)(O)OCC[N+](C)(C)C)C(=O)NSC

Isomeric SMILES

CCCCCCCCCCCCCCCCN(CC(O)OP(=O)(O)OCC[N+](C)(C)C)C(=O)NSC

InChI

InChI=1S/C25H54N3O6PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(25(30)26-36-5)23-24(29)34-35(31,32)33-22-21-28(2,3)4/h24,29H,6-23H2,1-5H3,(H-,26,30,31,32)/p+1